4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine

C13H21N3O — CID 113370712

IUPAC4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCCOc1cccnc1NC1CCC(N)CC1
InChIInChI=1S/C13H21N3O/c1-2-17-12-4-3-9-15-13(12)16-11-7-5-10(14)6-8-11/h3-4,9-11H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyMENUATGKWWZJOD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds4

About 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine

4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 113370712) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID113370712
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCCOc1cccnc1NC1CCC(N)CC1
InChIInChI=1S/C13H21N3O/c1-2-17-12-4-3-9-15-13(12)16-11-7-5-10(14)6-8-11/h3-4,9-11H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyMENUATGKWWZJOD-UHFFFAOYSA-N
XLogP2.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
N-cyclopropyl-3-ethylpyridin-2-amine
CID 90352584
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
CID 130964368
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 115923056
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 62733989
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
5-[(3-propoxy-2-pyridinyl)amino]piperidin-2-one
CID 113370927
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine (CID 113370712) is 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine is CCOc1cccnc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is MENUATGKWWZJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-12-4-3-9-15-13(12)16-11-7-5-10(14)6-8-11/h3-4,9-11H,2,5-8,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 113370712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).